2-[[1-(2-phenylethyl)piperidin-4-yl]methyl]-4,5,6,7-tetrahydroisoindole-1,3-diol

C22H30N2O2 — CID 57233389

IUPAC2-[[1-(2-phenylethyl)piperidin-4-yl]methyl]-4,5,6,7-tetrahydroisoindole-1,3-diol
SMILESOc1c2c(c(O)n1CC1CCN(CCc3ccccc3)CC1)CCCC2
InChIInChI=1S/C22H30N2O2/c25-21-19-8-4-5-9-20(19)22(26)24(21)16-18-11-14-23(15-12-18)13-10-17-6-2-1-3-7-17/h1-3,6-7,18,25-26H,4-5,8-16H2
InChIKeyZJAWWQJUYSZKTD-UHFFFAOYSA-N
MW354.49 g/mol
LogP3.73
Rot. Bonds5

About 2-[[1-(2-phenylethyl)piperidin-4-yl]methyl]-4,5,6,7-tetrahydroisoindole-1,3-diol

2-[[1-(2-phenylethyl)piperidin-4-yl]methyl]-4,5,6,7-tetrahydroisoindole-1,3-diol (PubChem CID 57233389) has the molecular formula C22H30N2O2 and a molecular weight of 354.49 g/mol. Its IUPAC name is 2-[[1-(2-phenylethyl)piperidin-4-yl]methyl]-4,5,6,7-tetrahydroisoindole-1,3-diol.

Molecular Properties

Compound Name2-[[1-(2-phenylethyl)piperidin-4-yl]methyl]-4,5,6,7-tetrahydroisoindole-1,3-diol
PubChem CID57233389
Molecular FormulaC22H30N2O2
Molecular Weight354.49 g/mol
Exact Mass354.23
IUPAC Name2-[[1-(2-phenylethyl)piperidin-4-yl]methyl]-4,5,6,7-tetrahydroisoindole-1,3-diol
SMILESOc1c2c(c(O)n1CC1CCN(CCc3ccccc3)CC1)CCCC2
InChIInChI=1S/C22H30N2O2/c25-21-19-8-4-5-9-20(19)22(26)24(21)16-18-11-14-23(15-12-18)13-10-17-6-2-1-3-7-17/h1-3,6-7,18,25-26H,4-5,8-16H2
InChIKeyZJAWWQJUYSZKTD-UHFFFAOYSA-N
XLogP3.73
TPSA48.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.49
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[1-(2-phenylethyl)piperidin-4-yl]methyl]-4,5,6,7-tetrahydroisoindole-1,3-diol with MolForge

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Related Compounds

1-(3h-Imidazo[4,5-C]pyridin-2-Yl)-3,4-Dihydropyrido[2,1-A]isoindol-6(2h)-One
CID 135566392
1-{3-H-imidazo[4,5-c]pyridin-2-yl}-3,4-dihydro-2H-pyrido[2,1-a]-isoindole-6-one
CID 136360144
(1Z)-1-imidazo[4,5-c]pyridin-2-ylidene-3,4-dihydro-2H-pyrido[1,2-b]isoindol-6-ol
CID 135510969
2-(2-Fluorophenyl)-4,5,6,7-tetrahydroisoindole-1,3-diol
CID 123175013
2-(4-Fluorophenyl)-4,5,6,7-tetrahydroisoindole-1,3-diol
CID 123536853
1-Methyl-3-phenylpyrrole-2,5-diol
CID 53881854
2-[4-[4-(1H-2,3-benzothiazin-4-yl)piperazin-1-yl]butyl]-4,5,6,7-tetrahydroisoindole-1,3-diol
CID 57313596
2-[4-[4-[3-(Trifluoromethyl)phenyl]piperazin-1-yl]butyl]-4,5,6,7-tetrahydroisoindole-1,3-diol
CID 53667579
[1-[4-(1,3-Dihydroxy-4,5,6,7-tetrahydroisoindol-2-yl)butyl]piperidin-4-yl]-(4-fluorophenyl)methanone
CID 53755790
2-[3-[4-[3-(Trifluoromethyl)phenyl]piperazin-1-yl]propyl]-4,5,6,7-tetrahydroisoindole-1,3-diol
CID 53783555
2-[4-[4-(4-Fluorophenyl)sulfinylpiperidin-1-yl]butyl]-4,5,6,7-tetrahydroisoindole-1,3-diol
CID 53957386
1-[[(3R,4S)-4-(4-fluorophenyl)-1-methylpiperidin-3-yl]methyl]pyrrole-2,5-diol
CID 53966538

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2-phenylethyl)piperidin-4-yl]methyl]-4,5,6,7-tetrahydroisoindole-1,3-diol?
The IUPAC name of 2-[[1-(2-phenylethyl)piperidin-4-yl]methyl]-4,5,6,7-tetrahydroisoindole-1,3-diol (CID 57233389) is 2-[[1-(2-phenylethyl)piperidin-4-yl]methyl]-4,5,6,7-tetrahydroisoindole-1,3-diol.
What is the SMILES notation for 2-[[1-(2-phenylethyl)piperidin-4-yl]methyl]-4,5,6,7-tetrahydroisoindole-1,3-diol?
The canonical SMILES for 2-[[1-(2-phenylethyl)piperidin-4-yl]methyl]-4,5,6,7-tetrahydroisoindole-1,3-diol is Oc1c2c(c(O)n1CC1CCN(CCc3ccccc3)CC1)CCCC2.
What is the InChIKey of 2-[[1-(2-phenylethyl)piperidin-4-yl]methyl]-4,5,6,7-tetrahydroisoindole-1,3-diol?
The InChIKey is ZJAWWQJUYSZKTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O2/c25-21-19-8-4-5-9-20(19)22(26)24(21)16-18-11-14-23(15-12-18)13-10-17-6-2-1-3-7-17/h1-3,6-7,18,25-26H,4-5,8-16H2.
What are the key properties of 2-[[1-(2-phenylethyl)piperidin-4-yl]methyl]-4,5,6,7-tetrahydroisoindole-1,3-diol?
2-[[1-(2-phenylethyl)piperidin-4-yl]methyl]-4,5,6,7-tetrahydroisoindole-1,3-diol has a molecular weight of 354.49 g/mol, XLogP of 3.73, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2-phenylethyl)piperidin-4-yl]methyl]-4,5,6,7-tetrahydroisoindole-1,3-diol is sourced from PubChem (CID 57233389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).